SCHEMBL15065409

SCHEMBL15065409

CC1(C)OB(c2ccc(C(=O)c3nc4ccccc4n3COCC[Si](C)(C)C)cc2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 3/20 0.38
PPARG P37231 2/20 0.36
CXCR3 P49682 3/20 0.36
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
P4HB P07237 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16689953 0.92 ALDH1A1 (0.39) POLBLMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL18543756 0.89 NPC1 (0.38) POLBLMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL15064847 0.86 KDM4E (0.37) POLBLMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL15064848 0.86 KDM4E (0.37) POLBLMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL29520489 0.79 KDM4E (0.38) POLBALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL5953265 0.78 KDM4E (0.55) POLBLMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL17969377 0.76 KDM4E (0.35) LMNAALDH1A1RECQLSMN1; SMN2NPC1
SCHEMBL22075813 0.75 NPC1 (0.44) POLBLMNAALDH1A1RECQLSMN1; SMN2
SCHEMBL20551588 0.74 PTGER4 (0.38) LMNAALDH1A1NPC1KDM4EHSD17B10
SCHEMBL16792476 0.74 KDM4E (0.51) POLBLMNAALDH1A1RECQLSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A POLB 366/4885LMNA 1292/4885ALDH1A1 270/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.